N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide

C11H13FN2O3 — CID 107261331

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-6-2-3-7(12)4-8(6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyXJTYRLBWEYOYTG-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.29
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide (PubChem CID 107261331) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
PubChem CID107261331
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC(O)C(N)=O
InChIInChI=1S/C11H13FN2O3/c1-6-2-3-7(12)4-8(6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17)
InChIKeyXJTYRLBWEYOYTG-UHFFFAOYSA-N
XLogP-0.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
CID 114302810
N-(5-amino-5-oxopentyl)-5-fluoro-2-methylbenzamide
CID 84594465
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
N-(3-amino-3-hydroxyiminopropyl)-5-fluoro-2-methylbenzamide
CID 76985782
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
CID 114152397
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromo-4-methylbenzamide
CID 106165114
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide (CID 107261331) is N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide?
The InChIKey is XJTYRLBWEYOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6-2-3-7(12)4-8(6)11(17)14-5-9(15)10(13)16/h2-4,9,15H,5H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide has a molecular weight of 240.23 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 107261331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).